Crystallography Open Database

Information card for entry 7217066

Preview

Coordinates	7217066.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H21 Er N5 O8 S2
Calculated formula	C31 H21 Er N5 O8 S2
Title of publication	Lanthanide coordination frameworks: crystal structure, down- and up-conversion luminescence and white light emission
Authors of publication	Zhang, Yi-Hua; Li, Xia; Song, Shuang; Yang, Hong-Yu; Ma, Dou; Liu, Yi-Heng
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	36
Pages of publication	8390
a	10.542 ± 0.003 Å
b	10.561 ± 0.003 Å
c	14.961 ± 0.004 Å
α	75.527 ± 0.006°
β	69.711 ± 0.006°
γ	71.721 ± 0.006°
Cell volume	1464.7 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1437
Residual factor for significantly intense reflections	0.0818
Weighted residual factors for significantly intense reflections	0.1494
Weighted residual factors for all reflections included in the refinement	0.1837
Goodness-of-fit parameter for all reflections included in the refinement	0.956
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180501 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/70.	7217066.cif
123400	2014-09-08	cif/ Updating files of 7217062, 7217063, 7217064, 7217065, 7217066, 7217067 Original log message: Adding full bibliography for 7217062--7217067.cif.	7217066.cif
119606	2014-07-08	cif/ Adding structures of 7217062, 7217063, 7217064, 7217065, 7217066, 7217067 via cif-deposit CGI script.	7217066.cif